Geometry & MOs

Info

ID:	242973
PubChem CID:	99214654
Reduced:	BrOSN5H16C18 (1)
Stoich.:	ABCD5E16F18 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	67.44
Dipole, Da:	4.27
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCNC2=NC=CN=C2)SC3=NC=C(C=C3)Br

DOS

IR

Vibrations